Geometry & MOs

Info

ID:	447201
PubChem CID:	135281119
Reduced:	SO2N8H20C22 (1)
Stoich.:	AB2C8D20E22 (1)
Weight, g/mol:	401.140036
ΔH_f, kcal/mol:	77.04
Dipole, Da:	4.37
IP(EA), eV:	-8.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3-fluorophenyl)-2-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)NS(=O)(=O)C)NC2=NC=C3C=C(C=CC3=N2)C4=C5C=NNC5=NC=N4

DOS

IR

Vibrations